2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate

C16H24N2O4S — CID 11163617

IUPAC2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
SMILESCC(C)C(OC(=O)NCC(=O)C(=O)NCc1cccs1)C(C)C
InChIInChI=1S/C16H24N2O4S/c1-10(2)14(11(3)4)22-16(21)18-9-13(19)15(20)17-8-12-6-5-7-23-12/h5-7,10-11,14H,8-9H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyABQJZYDEFXTFBB-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.34
Rot. Bonds8

About 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate

2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate (PubChem CID 11163617) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
PubChem CID11163617
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
SMILESCC(C)C(OC(=O)NCC(=O)C(=O)NCc1cccs1)C(C)C
InChIInChI=1S/C16H24N2O4S/c1-10(2)14(11(3)4)22-16(21)18-9-13(19)15(20)17-8-12-6-5-7-23-12/h5-7,10-11,14H,8-9H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyABQJZYDEFXTFBB-UHFFFAOYSA-N
XLogP2.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
The IUPAC name of 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate (CID 11163617) is 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate.
What is the SMILES notation for 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
The canonical SMILES for 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate is CC(C)C(OC(=O)NCC(=O)C(=O)NCc1cccs1)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
The InChIKey is ABQJZYDEFXTFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-10(2)14(11(3)4)22-16(21)18-9-13(19)15(20)17-8-12-6-5-7-23-12/h5-7,10-11,14H,8-9H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate?
2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yl N-[2,3-dioxo-3-(thiophen-2-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 11163617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).